2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-2-11-6-3-4-9-17(11)10-18-15(20)12-7-5-8-13(19(22)23)14(12)16(18)21/h5,7-8,11H,2-4,6,9-10H2,1H3/p+1/t11-/m0/s1